2-methyl-4-oxidanyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile

Systemtic Name: 2-methyl-4-oxidanyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile Openeye Name: 4-hydroxy-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile CAS Name: 4-hydroxy-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile IUPAC Name: 4-hydroxy-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanenitrile Traditional Name: 4-hydroxy-2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butyronitrile Formula: C14H16N4O MolecularWeight: 256.30304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)(C#N)C1=CC=CC(=C1)CN2C=NC=N2

Isomeric SMILES

CC(CCO)(C#N)C1=CC=CC(=C1)CN2C=NC=N2

InChI

InChI=1S/C14H16N4O/c1-14(9-15,5-6-19)13-4-2-3-12(7-13)8-18-11-16-10-17-18/h2-4,7,10-11,19H,5-6,8H2,1H3